3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide

C22H20BrN3O2 — CID 52703646

IUPAC3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H20BrN3O2/c1-15-7-8-16(22(28)26-18-5-3-2-4-6-18)13-20(15)24-14-21(27)25-19-11-9-17(23)10-12-19/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyMILGVAPGAZZHMJ-UHFFFAOYSA-N
MW438.33 g/mol
LogP5.06
Rot. Bonds6

About 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide

3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide (PubChem CID 52703646) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
PubChem CID52703646
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC Name3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H20BrN3O2/c1-15-7-8-16(22(28)26-18-5-3-2-4-6-18)13-20(15)24-14-21(27)25-19-11-9-17(23)10-12-19/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyMILGVAPGAZZHMJ-UHFFFAOYSA-N
XLogP5.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 52703647
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-[4-[[2-(4-bromoanilino)-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840309
3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60537356
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60537383
3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60536999
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
CID 119712027
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
N-(4-bromophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210283

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide (CID 52703646) is 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The InChIKey is MILGVAPGAZZHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2/c1-15-7-8-16(22(28)26-18-5-3-2-4-6-18)13-20(15)24-14-21(27)25-19-11-9-17(23)10-12-19/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide has a molecular weight of 438.33 g/mol, XLogP of 5.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 52703646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).